Crystallography Open Database

Information card for entry 7243079

Preview

Coordinates	7243079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N4
Calculated formula	C42 H36 N4
Title of publication	BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant
Authors of publication	Luo, Zhenli; Pan, Yixiao; Yao, Zhen; Yang, Ji; Zhang, Xin; Liu, Xintong; Xu, Lijin; Fan, Qing-Hua
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	14
Pages of publication	5205 - 5211
a	15.6432 ± 0.0003 Å
b	13.2799 ± 0.0002 Å
c	17.6411 ± 0.0004 Å
α	90°
β	114.078 ± 0.002°
γ	90°
Cell volume	3345.9 ± 0.12 Å³
Cell temperature	272 ± 1 K
Ambient diffraction temperature	272 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268824 (current)	2021-09-06	cif/ Updating files of 7243079 Original log message: Adding full bibliography for 7243079.cif.	7243079.cif
266552	2021-06-18	cif/ Adding structures of 7243079 via cif-deposit CGI script.	7243079.cif